2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol

C13H19NO3 — CID 117237470

IUPAC2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol
SMILESCOc1ccc(OCC(O)C2CCNC2)cc1
InChIInChI=1S/C13H19NO3/c1-16-11-2-4-12(5-3-11)17-9-13(15)10-6-7-14-8-10/h2-5,10,13-15H,6-9H2,1H3
InChIKeyRXKSXXWKIQJYOB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.04
Rot. Bonds5

About 2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol

2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol (PubChem CID 117237470) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol
PubChem CID117237470
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol
SMILESCOc1ccc(OCC(O)C2CCNC2)cc1
InChIInChI=1S/C13H19NO3/c1-16-11-2-4-12(5-3-11)17-9-13(15)10-6-7-14-8-10/h2-5,10,13-15H,6-9H2,1H3
InChIKeyRXKSXXWKIQJYOB-UHFFFAOYSA-N
XLogP1.04
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-1-pyrrolidin-3-ylethanol
CID 117237460
2-(3-methoxyphenoxy)-1-piperidin-4-ylethanol
CID 117238836
2-pyridin-3-yloxy-1-pyrrolidin-3-ylethanol
CID 117237507
3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239821
2-(4-methoxyphenoxy)-1-pyrrolidin-2-ylethanol
CID 142625617
3-[2-(4-methoxyphenoxy)ethyl]piperidin-4-ol
CID 114451831
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
1-(4-methoxyphenyl)-3-piperidin-4-ylpropan-2-ol
CID 54148570
[4-(4-methoxyphenyl)phenyl]-piperidin-4-ylmethanol
CID 82341647
1-(4-methoxyphenyl)-2-piperidin-4-ylethanol
CID 84698858
3-(4-chlorophenoxy)-2-pyrrolidin-3-ylpropan-1-amine
CID 117237962
3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol
CID 112512841

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol?
The IUPAC name of 2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol (CID 117237470) is 2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol is COc1ccc(OCC(O)C2CCNC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol?
The InChIKey is RXKSXXWKIQJYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-11-2-4-12(5-3-11)17-9-13(15)10-6-7-14-8-10/h2-5,10,13-15H,6-9H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol?
2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol has a molecular weight of 237.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol is sourced from PubChem (CID 117237470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).